CID 13839249

1-bromo-3-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula
C9H7BrO
SMILES
C#CCOC1=CC(=CC=C1)Br
InChI
InChI=1S/C9H7BrO/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7H,6H2
InChIKey
NWOMEMWJZOKRQR-UHFFFAOYSA-N
Compound name
1-bromo-3-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

209.96803 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97531 133.0
[M+Na]+ 232.95725 147.3
[M-H]- 208.96075 136.9
[M+NH4]+ 228.00185 153.2
[M+K]+ 248.93119 135.3
[M+H-H2O]+ 192.96529 127.6
[M+HCOO]- 254.96623 152.2
[M+CH3COO]- 268.98188 191.3
[M+Na-2H]- 230.94270 140.7
[M]+ 209.96748 145.7
[M]- 209.96858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe